4-chloro-6-(2-chloro-4-fluorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine

C13H13Cl2FN4O — CID 62869106

IUPAC4-chloro-6-(2-chloro-4-fluorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Oc2ccc(F)cc2Cl)n1
InChIInChI=1S/C13H13Cl2FN4O/c1-3-20(4-2)12-17-11(15)18-13(19-12)21-10-6-5-8(16)7-9(10)14/h5-7H,3-4H2,1-2H3
InChIKeyJUBXOMHJEIEVAS-UHFFFAOYSA-N
MW331.18 g/mol
LogP3.96
Rot. Bonds5

About 4-chloro-6-(2-chloro-4-fluorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine

4-chloro-6-(2-chloro-4-fluorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine (PubChem CID 62869106) has the molecular formula C13H13Cl2FN4O and a molecular weight of 331.18 g/mol. Its IUPAC name is 4-chloro-6-(2-chloro-4-fluorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-chloro-4-fluorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
PubChem CID62869106
Molecular FormulaC13H13Cl2FN4O
Molecular Weight331.18 g/mol
Exact Mass330.05
IUPAC Name4-chloro-6-(2-chloro-4-fluorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Oc2ccc(F)cc2Cl)n1
InChIInChI=1S/C13H13Cl2FN4O/c1-3-20(4-2)12-17-11(15)18-13(19-12)21-10-6-5-8(16)7-9(10)14/h5-7H,3-4H2,1-2H3
InChIKeyJUBXOMHJEIEVAS-UHFFFAOYSA-N
XLogP3.96
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-(2-chloro-4-fluorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N,N-diethyl-6-(4-fluorophenoxy)-1,3,5-triazin-2-amine
CID 15569239
2-(2-Chloro-4-fluorophenoxy)-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 76312903
1,3,5-Triazin-2-amine, 4-chloro-N,N-diethyl-6-(3-fluorophenoxy)-
CID 158833
4-chloro-N,N-diethyl-6-(2-fluorophenoxy)-1,3,5-triazin-2-amine
CID 15569238
2-(2-Chlorophenoxy)-4,6-difluoro-1,3,5-triazine
CID 13449
2-Chloro-4-(2,4-dichlorophenoxy)-6-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 88644297
4-(2-Chlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 122641820
2-Chloro-4-(2-chloro-4-fluorophenoxy)-6-ethoxy-1,3,5-triazine
CID 55124411
4-chloro-6-(2,4-difluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 55124475
4-chloro-6-(3,4-difluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 55124756
2,4-Dichloro-6-(2-chloro-4-fluorophenoxy)-1,3,5-triazine
CID 60726814
2,4-Dichloro-6-(3-chloro-4-fluorophenoxy)-1,3,5-triazine
CID 60727009

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-chloro-4-fluorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2-chloro-4-fluorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine (CID 62869106) is 4-chloro-6-(2-chloro-4-fluorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-chloro-4-fluorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2-chloro-4-fluorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(Oc2ccc(F)cc2Cl)n1.
What is the InChIKey of 4-chloro-6-(2-chloro-4-fluorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine?
The InChIKey is JUBXOMHJEIEVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2FN4O/c1-3-20(4-2)12-17-11(15)18-13(19-12)21-10-6-5-8(16)7-9(10)14/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-chloro-6-(2-chloro-4-fluorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine?
4-chloro-6-(2-chloro-4-fluorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine has a molecular weight of 331.18 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-chloro-4-fluorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62869106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).